1-N-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine

C11H20N2S — CID 43650477

IUPAC1-N-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
SMILESCCCC(N)CN(C)Cc1cccs1
InChIInChI=1S/C11H20N2S/c1-3-5-10(12)8-13(2)9-11-6-4-7-14-11/h4,6-7,10H,3,5,8-9,12H2,1-2H3
InChIKeyLQUIETNMEJPDEU-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.31
Rot. Bonds6

About 1-N-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine

1-N-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine (PubChem CID 43650477) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-N-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
PubChem CID43650477
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name1-N-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
SMILESCCCC(N)CN(C)Cc1cccs1
InChIInChI=1S/C11H20N2S/c1-3-5-10(12)8-13(2)9-11-6-4-7-14-11/h4,6-7,10H,3,5,8-9,12H2,1-2H3
InChIKeyLQUIETNMEJPDEU-UHFFFAOYSA-N
XLogP2.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 43649767
1-N-methyl-4-phenyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 114929524
2-ethyl-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65228216
N,2-dimethyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 104681857
N,2-dimethyl-N'-propan-2-yl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62420411
1-[methyl(thiophen-2-ylmethyl)amino]-3-(propylamino)propan-2-ol
CID 43527489
2-[[methyl(thiophen-2-ylmethyl)amino]methyl]butanoic acid
CID 115249975
7-thiophen-2-ylheptan-3-amine
CID 64505571
N'-propan-2-yl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65232585
(2R)-1-[methyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 129369879
N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 115263126
1-N,1-N-dimethyl-5-thiophen-2-ylpentane-1,3-diamine
CID 115346068

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine (CID 43650477) is 1-N-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine is CCCC(N)CN(C)Cc1cccs1.
What is the InChIKey of 1-N-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine?
The InChIKey is LQUIETNMEJPDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-3-5-10(12)8-13(2)9-11-6-4-7-14-11/h4,6-7,10H,3,5,8-9,12H2,1-2H3.
What are the key properties of 1-N-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine?
1-N-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine has a molecular weight of 212.36 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine is sourced from PubChem (CID 43650477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).